N-(2,6-Dimethylphenyl)hydrazinecarbothioamide

C₉H₁₃N₃SCAS 71058-35-0195.28 g/mol

Open in Covalent MOL file

Primary amine Thiol

Properties

Molecular formula: C₉H₁₃N₃S
Molar mass: 195.28 g/mol
Exact mass: 195.0830 Da
Melting point: 204 °C
logP: 1.68Crippen estimate
Polar surface area: 50.4 Å²
H-bond donors / acceptors: 3 / 2
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed66.7% of notifiers
H315 Causes skin irritation33.3% of notifiers
H319 Causes serious eye irritation33.3% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

71058-35-0

SMILES

Cc1cccc(C)c1N=C(S)NN

InChIKey

YEOAXWBYZFHOIZ-UHFFFAOYSA-N

InChI

InChI=1S/C9H13N3S/c1-6-4-3-5-7(2)8(6)11-9(13)12-10/h3-5H,10H2,1-2H3,(H2,11,12,13)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names

Hydrazinecarbothioamide, N-(2,6-dimethylphenyl)-
4-(2,6-Dimethylphenyl)thiosemicarbazide
1-Amino-3-(2,6-dimethylphenyl)thiourea
4-(2,6-Dimethylphenyl)-3-thiosemicarbazide
3-Amino-1-(2,6-dimethylphenyl)thiourea

Work with N-(2,6-Dimethylphenyl)hydrazinecarbothioamide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N-(2-Methylphenyl)hydrazinecarbothioamide614-10-868 % similar 4-Phenylthiosemicarbazide5351-69-953 % similar N-(2-Methoxyphenyl)hydrazinecarbothioamide40207-02-146 % similar N-(2,6-Dimethylphenyl)acetamide2198-53-046 % similar Tocainide41708-72-943 % similar N,N′-Bis(2-methylphenyl)thiourea137-97-341 % similar 2-Hydroxy-3-methylbenzhydrazide30991-42-541 % similar 2-Chloro-N-(2,6-dimethylphenyl)acetamide1131-01-741 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-[4-(Dimethylamino)phenyl]thiourea22283-43-8 4-(2,4-Dimethylphenyl)-3-thiosemicarbazide66298-09-7

Elsewhere

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